[1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C20H30N4O4 — CID 89487933

IUPAC[1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(OC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H30N4O4/c1-15(2)22-11-13-24(14-12-22)20(26)28-16-6-9-23(10-7-16)18-17(19(25)27-3)5-4-8-21-18/h4-5,8,15-16H,6-7,9-14H2,1-3H3
InChIKeyPZVRMJPGVUTMGK-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.00
Rot. Bonds4

About [1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487933) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is [1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487933
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name[1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(OC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H30N4O4/c1-15(2)22-11-13-24(14-12-22)20(26)28-16-6-9-23(10-7-16)18-17(19(25)27-3)5-4-8-21-18/h4-5,8,15-16H,6-7,9-14H2,1-3H3
InChIKeyPZVRMJPGVUTMGK-UHFFFAOYSA-N
XLogP2.00
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487933) is [1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is COC(=O)c1cccnc1N1CCC(OC(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of [1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is PZVRMJPGVUTMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-15(2)22-11-13-24(14-12-22)20(26)28-16-6-9-23(10-7-16)18-17(19(25)27-3)5-4-8-21-18/h4-5,8,15-16H,6-7,9-14H2,1-3H3.
What are the key properties of [1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).